6-(2-bromoethyl)quinoline

C11H10BrN — CID 68811984

IUPAC6-(2-bromoethyl)quinoline
SMILESBrCCc1ccc2ncccc2c1
InChIInChI=1S/C11H10BrN/c12-6-5-9-3-4-11-10(8-9)2-1-7-13-11/h1-4,7-8H,5-6H2
InChIKeyCDWGRAWSEWZKGF-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.17
Rot. Bonds2

About 6-(2-bromoethyl)quinoline

6-(2-bromoethyl)quinoline (PubChem CID 68811984) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 6-(2-bromoethyl)quinoline.

Molecular Properties

Compound Name6-(2-bromoethyl)quinoline
PubChem CID68811984
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name6-(2-bromoethyl)quinoline
SMILESBrCCc1ccc2ncccc2c1
InChIInChI=1S/C11H10BrN/c12-6-5-9-3-4-11-10(8-9)2-1-7-13-11/h1-4,7-8H,5-6H2
InChIKeyCDWGRAWSEWZKGF-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(2-chloroethyl)quinoline
CID 53404433
3-quinolin-6-ylpropanenitrile
CID 53417284
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
6-[2-(oxiran-2-yl)ethyl]quinoline
CID 130239361
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
4-methyl-1-quinolin-6-ylpentan-3-amine
CID 81224108
N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine
CID 80669109
8-bromo-6-(2-bromoethyl)quinoline
CID 174405636
6-[[2-(bromomethyl)phenoxy]methyl]quinoline
CID 43324575
N-methyl-1-quinolin-6-ylpentan-3-amine
CID 81221541
ethyl(quinolin-6-ylmethyl)phosphane
CID 142150955
methyl 4-quinolin-6-ylbutanoate
CID 116997352

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethyl)quinoline?
The IUPAC name of 6-(2-bromoethyl)quinoline (CID 68811984) is 6-(2-bromoethyl)quinoline.
What is the SMILES notation for 6-(2-bromoethyl)quinoline?
The canonical SMILES for 6-(2-bromoethyl)quinoline is BrCCc1ccc2ncccc2c1.
What is the InChIKey of 6-(2-bromoethyl)quinoline?
The InChIKey is CDWGRAWSEWZKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c12-6-5-9-3-4-11-10(8-9)2-1-7-13-11/h1-4,7-8H,5-6H2.
What are the key properties of 6-(2-bromoethyl)quinoline?
6-(2-bromoethyl)quinoline has a molecular weight of 236.11 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethyl)quinoline is sourced from PubChem (CID 68811984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).